2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol

C21H25FN6O2 — CID 155287411

IUPAC2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
SMILESCC1(C)C[C@H](Oc2ccc(-c3ncc(-c4cn[nH]c4)cc3O)nn2)[C@H](F)C(C)(C)N1
InChIInChI=1S/C21H25FN6O2/c1-20(2)8-16(19(22)21(3,4)28-20)30-17-6-5-14(26-27-17)18-15(29)7-12(9-23-18)13-10-24-25-11-13/h5-7,9-11,16,19,28-29H,8H2,1-4H3,(H,24,25)/t16-,19-/m0/s1
InChIKeyFVYOVBZNDVIMHP-LPHOPBHVSA-N
MW412.47 g/mol
LogP3.27
Rot. Bonds4

About 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol

2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol (PubChem CID 155287411) has the molecular formula C21H25FN6O2 and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol.

Molecular Properties

Compound Name2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
PubChem CID155287411
Molecular FormulaC21H25FN6O2
Molecular Weight412.47 g/mol
Exact Mass412.20
IUPAC Name2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
SMILESCC1(C)C[C@H](Oc2ccc(-c3ncc(-c4cn[nH]c4)cc3O)nn2)[C@H](F)C(C)(C)N1
InChIInChI=1S/C21H25FN6O2/c1-20(2)8-16(19(22)21(3,4)28-20)30-17-6-5-14(26-27-17)18-15(29)7-12(9-23-18)13-10-24-25-11-13/h5-7,9-11,16,19,28-29H,8H2,1-4H3,(H,24,25)/t16-,19-/m0/s1
InChIKeyFVYOVBZNDVIMHP-LPHOPBHVSA-N
XLogP3.27
TPSA108.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol?
The IUPAC name of 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol (CID 155287411) is 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol.
What is the SMILES notation for 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol?
The canonical SMILES for 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol is CC1(C)C[C@H](Oc2ccc(-c3ncc(-c4cn[nH]c4)cc3O)nn2)[C@H](F)C(C)(C)N1.
What is the InChIKey of 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol?
The InChIKey is FVYOVBZNDVIMHP-LPHOPBHVSA-N. The full InChI is InChI=1S/C21H25FN6O2/c1-20(2)8-16(19(22)21(3,4)28-20)30-17-6-5-14(26-27-17)18-15(29)7-12(9-23-18)13-10-24-25-11-13/h5-7,9-11,16,19,28-29H,8H2,1-4H3,(H,24,25)/t16-,19-/m0/s1.
What are the key properties of 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol?
2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol has a molecular weight of 412.47 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol is sourced from PubChem (CID 155287411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).